1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(4-propoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(4-propoxybenzyl)nipecotamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C25H31N3O2S/c1-4-12-30-21-9-7-19(8-10-21)15-26-24(29)20-6-5-11-28(16-20)25-27-23-18(3)13-17(2)14-22(23)31-25/h7-10,13-14,20H,4-6,11-12,15-16H2,1-3H3,(H,26,29)